SEXIE
Entered: Thu Dec 09 2010
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Application fields: Chemistry
Bibliography: Rupp, B., Smith, B. & Wong, J. (1992). Comput. Phys. Commun. 67, 543–546.
Description: Calculation of Coordination Shells and Geometries
References: http://www.ruppweb.org/xray/tutorial/spaceout.htm
Last updated: 15 Oct 2021